Author

Simone Raugei

Pacific Northwest National LaboratoryORCID 0000-0001-9118-8480Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Molecular Biology· 1 Scientific Communication & Education· 1

Signature Assays, Organisms & Methods

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Approach:machine learning (classical)· 1 Assay:metagenomics· 1 Organism:plant (other)· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1 Approach:statistical model· 1

Frequent Co-Authors

Adam HollerbachiD· 1 shared Andrew D. McNaughtoniD· 1 shared Bobbie‐Jo Webb‐RobertsoniD· 1 shared Christopher HarrilaliD· 1 shared Danielle CiesielskiiD· 1 shared Dylan H. RossiD· 1 shared Ethan KingiD· 1 shared Eva BrayfindleyiD· 1 shared

Activity by Year

2023-2026 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 29 mutual co-author links

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1 shared paperScientific Communication & Education

Adam HollerbachORCID

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2 papers

Recent·Most cited

Scientific Communication & EducationbioRxivPreprintApr 27, 2026

Reference-free compound identification using computational prediction of molecular properties and multi-dimensional spectrometric measurements: a fentanyl case study

Christopher Harrilal, Adam Hollerbach, Danielle Ciesielski…·Thomas Metz

This paper identifies unknown molecules without reference libraries by combining computational predictions with spectrometric data, achieving exact identifications in a fentanyl case study.

DOI 10.64898/2026.04.22.719980

metagenomicsmachine learning (classical)

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Molecular BiologybioRxivPreprintAug 17, 2023

Data-Driven Modeling and Analysis of Fatty Acid Desaturase in Plants

Andrew D. McNaughton, John Shanklin, Simone Raugei, Neeraj Kumar

The paper models and analyzes plant fatty acid desaturases using homology modeling, docking, and molecular dynamics to study their structure and function.

1 citation

plant (other)protein structure

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